2-(3-nitropyrazol-1-yl)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3-nitropyrazol-1-yl)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(3-nitropyrazol-1-yl)ethanone CAS Name: 2-(3-nitro-1-pyrazolyl)-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(3-nitropyrazol-1-yl)ethanone Traditional Name: 1-(4-benzylpiperazino)-2-(3-nitropyrazol-1-yl)ethanone Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C=CC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O3/c22-16(13-20-7-6-15(17-20)21(23)24)19-10-8-18(9-11-19)12-14-4-2-1-3-5-14/h1-7H,8-13H2